SCHEMBL11903210

SCHEMBL11903210

CCOC=Cc1c(C(=O)OC)nc(-c2ccc(Cl)c(F)c2)nc1N(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MITF O75030 3/20 0.33
▸ LMNA P02545 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ TSPO P30536 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ACLY P53396 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ THRB P10828 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11903208 1.00 HTT (0.34) HTTKDM4EMEN1KMT2ANPC1
SCHEMBL11902903 0.85 HTT (0.38) HTTKDM4EMEN1KMT2ANPC1
SCHEMBL11902300 0.83 PDE4D (0.37) PDE4APDE4BPDE4CPDE4DTSPO
SCHEMBL11903209 0.82 ALDH1A1 (0.42) HTTKDM4EMEN1KMT2ANPC1
SCHEMBL12786061 0.82 ALDH1A1 (0.42) HTTKDM4EMEN1KMT2ANPC1
SCHEMBL11903067 0.82 HTT (0.38) HTTKDM4EMEN1KMT2ANPC1
SCHEMBL11902799 0.78 ALDH1A1 (0.34) KDM4EKMT2ANPC1MAPK1NPSR1
SCHEMBL11902803 0.78 ALDH1A1 (0.34) KDM4EKMT2ANPC1MAPK1NPSR1
SCHEMBL11902674 0.76 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPK1NPSR1
SCHEMBL11902676 0.76 ALDH1A1 (0.43) KDM4EMEN1KMT2AMAPK1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO HTT 216/4885KDM4E 3599/4885MEN1 4608/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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